SCHEMBL4284722

SCHEMBL4284722

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cnc(N4CCOCC4)nc3)n2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.51
JAK3 P52333 3/20 0.51
MYLK4 Q86YV6 4/20 0.46
STK17A Q9UEE5 4/20 0.46
EGFR P00533 2/20 0.45
ZAP70 P43403 1/20 0.44
MAPK8 P45983 2/20 0.44
MAPK10 P53779 2/20 0.44
MAPK9 P45984 1/20 0.44
SMG1 Q96Q15 3/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
AOC3 Q16853 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4279938 1.00 JAK2 (0.51) JAK2JAK3MYLK4STK17AEGFR
SCHEMBL4277470 0.91 JAK2 (0.49) JAK2JAK3MYLK4STK17AZAP70
SCHEMBL4288821 0.91 JAK2 (0.49) JAK2JAK3MYLK4STK17AZAP70
SCHEMBL4278706 0.91 ZAP70 (0.57) JAK2JAK3EGFRZAP70SMG1
SCHEMBL4277479 0.91 ZAP70 (0.57) JAK2JAK3EGFRZAP70SMG1
SCHEMBL4279761 0.91 ZAP70 (0.57) JAK2JAK3EGFRZAP70SMG1
SCHEMBL14576229 0.90 JAK2 (0.56) JAK2JAK3EGFRMAPK8MAPK10
SCHEMBL15391065 0.90 JAK2 (0.56) JAK2JAK3EGFRMAPK8MAPK10
SCHEMBL4290940 0.89 JAK2 (0.49) JAK2JAK3EGFRZAP70SMG1
SCHEMBL4279783 0.89 JAK2 (0.49) JAK2JAK3EGFRZAP70SMG1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK2 4729/4885JAK3 4792/4885MYLK4 334/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MYLK4 1575/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MYLK4 1855/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MYLK4 1872/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.